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茶葉中低含量氨基酸近紅外光譜定量分析模型研究
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國(guó)家自然科學(xué)基金資助項(xiàng)目(21265006、31171697)


Quantitative Determination of Low Amino Acid Contents in Tea by Using Near-infrared Spectroscopy
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    摘要:

    應(yīng)用近紅外光譜分析方法對(duì)茶葉中游離氨基酸進(jìn)行定量分析。連續(xù)小波導(dǎo)數(shù)(CWD)和標(biāo)準(zhǔn)正態(tài)變量變換(SNV)用于光譜預(yù)處理;偏最小二乘回歸(PLSR)方法用于校正模型構(gòu)建;采用蒙特卡洛無(wú)信息變量消除(MCUVE)方法和連續(xù)投影算法(SPA)對(duì)建模變量進(jìn)行優(yōu)化。結(jié)果表明,CWD-SNV方法可以有效地提高茶葉光譜質(zhì)量,消除光譜的平移誤差;基于MCUVE-SPA的變量篩選方法極大地改善了模型的精度,實(shí)現(xiàn)了建模變量的有效壓縮,模型的預(yù)測(cè)相關(guān)系數(shù)(Rp)和預(yù)測(cè)均方根誤差(RMSEP)分別由0.851和0.117改善為0.895和0.107,建模變量由4148減小為18;當(dāng)氨基酸百分含量大于0.1%時(shí),近紅外光譜結(jié)合化學(xué)計(jì)量學(xué)方法可以得到較優(yōu)的定量分析模型。為茶葉中低含量氨基酸的分析提供了一種快速簡(jiǎn)便的分析方法。

    Abstract:

    Near-infrared spectroscopy (NIRS) was used for quantitative determination of free amino acid contents in tea samples. Two spectral preprocessing methods including continuous wavelet derivative (CWD) and standard normal variate (SNV) were used for spectral transform. Partial least squares regression (PLSR) was used for modeling. Monte Carlo uninformation variable elimination (MCUVE) and successive projections algorithm (SPA) were used for optimizing the modeling variables. It was shown that CWD-SNV method could effectively improve spectral quality, and eliminate translation error. MCUVE-SPA method could greatly improve the precision of model, and compress the modeling variables. The correlation coefficient of prediction ( Rp ) and root mean square error of prediction (RMSEP) of analytical models were optimized from 0.851 and 0.117 to 0.895 and 0.107,and modeling variables were reduced from 4148 to 18. NIRS combined with chemometrics could get a better analytical model when amino acid contents exceeded 0.1%. It can provide a fast and simple analytical procedure for the determination of low contents amino acid.

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郝勇,陳斌.茶葉中低含量氨基酸近紅外光譜定量分析模型研究[J].農(nóng)業(yè)機(jī)械學(xué)報(bào),2014,45(6):216-220. Hao Yong, Chen Bin. Quantitative Determination of Low Amino Acid Contents in Tea by Using Near-infrared Spectroscopy[J]. Transactions of the Chinese Society for Agricultural Machinery,2014,45(6):216-220.

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  • 收稿日期:2014-02-15
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  • 在線(xiàn)發(fā)布日期: 2014-06-10
  • 出版日期: 2014-06-10